PDB-9iit: Full length structure of FKP in complex with GTP and GDP

ID or keywords:

Entry

Database: PDB / ID: 9iit

Title

Full length structure of FKP in complex with GTP and GDP

Components

L-fucokinase/L-fucose-1-P guanylyltransferase

Keywords

TRANSFERASE / fucose / ATP / GTP / kinase / pyrophosphorylase

Function / homology

Function and homology information

fucokinase / fucose-1-phosphate guanylyltransferase / fucokinase activity / GDP-L-fucose salvage / nucleotidyltransferase activity / ATP binding
Similarity search - Function

Biological species

Bacteroides fragilis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Ko, T.P. / Lin, S.W. / Hsu, M.F. / Lin, C.H.

Funding support

Taiwan, 1items

Citation

Journal: J.Biol.Chem. / Year: 2025
Title: Structural insight into the catalytic mechanism of the bifunctional enzyme l-fucokinase/GDP-fucose pyrophosphorylase.
Authors: Lin, S.W. / Ko, T.P. / Chiang, H.Y. / Wu, C.G. / Hsu, M.F. / Wang, A.H. / Lin, C.H.

History

Deposition	Jun 21, 2024	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Mar 5, 2025	Provider: repository / Type: Initial release
Revision 1.1	Apr 9, 2025	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9iit.cif.gz	943.2 KB	Display	PDBx/mmCIF format
PDB format	pdb9iit.ent.gz	652.3 KB	Display	PDB format
PDBx/mmJSON format	9iit.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9iit_validation.pdf.gz	3.2 MB	Display	wwPDB validaton report
Full document	9iit_full_validation.pdf.gz	3.2 MB	Display
Data in XML	9iit_validation.xml.gz	87.4 KB	Display
Data in CIF	9iit_validation.cif.gz	115.1 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ii/9iit ftp://data.pdbj.org/pub/pdb/validation_reports/ii/9iit	HTTPS FTP

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Related structure data

Related structure data	9iipC 9iisC 6lh3 PDB Unreleased entryS 6lh5 PDB Unreleased entryS C: citing same article (ref.) S: Starting model for refinement
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#254 - Feb 2021 Cellulose Synthase similarity (1)

Deposited unit

A: L-fucokinase/L-fucose-1-P guanylyltransferase

B: L-fucokinase/L-fucose-1-P guanylyltransferase

hetero molecules

219 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: L-fucokinase/L-fucose-1-P guanylyltransferase

B: L-fucokinase/L-fucose-1-P guanylyltransferase

hetero molecules

A: L-fucokinase/L-fucose-1-P guanylyltransferase

B: L-fucokinase/L-fucose-1-P guanylyltransferase

hetero molecules

defined by author&software
Evidence: homology
437 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	211.821, 96.061, 127.369
Angle α, β, γ (deg.)	90.000, 97.094, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	HIS	HIS	SER	SER	(chain 'A' and resid 0 through 1001)	A	A	0 - 949	20 - 969
1	2	GTP	GTP	GTP	GTP	(chain 'A' and resid 0 through 1001)	A	C	1001
2	3	HIS	HIS	SER	SER	(chain 'B' and resid 0 through 1001)	B	B	0 - 949	20 - 969
2	4	GTP	GTP	GTP	GTP	(chain 'B' and resid 0 through 1001)	B	J	1001

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Protein , 1 types, 2 molecules AB

#1: Protein	L-fucokinase/L-fucose-1-P guanylyltransferase Mass: 107954.164 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides fragilis (bacteria) / Gene: fkp / Plasmid: pET16b Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q58T34

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Non-polymers , 7 types, 856 molecules

#2: Chemical	ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE Mass: 523.180 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₄P₃ / Feature type: SUBJECT OF INVESTIGATION / Comment: GTP, energy-carrying molecule*YM
#3: Chemical	ChemComp-FMT / FORMIC ACID Mass: 46.025 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CH₂O₂
#4: Chemical	ChemComp-MLA / MALONIC ACID / DICARBOXYLIC ACID C3 / PROPANEDIOLIC ACID / METHANEDICARBOXYLIC ACID Mass: 104.061 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₄O₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃ / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical	ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₁P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: GDP, energy-carrying molecule*YM
#7: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂H₃O₂
#8: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 843 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	N

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.98 Å³/Da / Density % sol: 58.7 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 8% Tascimate, 20% PEG 3350, 15mM GTP, 15mM MgCl2

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: NSRRC / Beamline: BL15A1 / Wavelength: 1 Å
Detector	Type: RAYONIX MX300HE / Detector: CCD / Date: Oct 8, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.3→30 Å / Num. obs: 111983 / % possible obs: 98.8 % / Redundancy: 3.6 % / B_iso Wilson estimate: 42.37 Å² / CC_1/2: 0.918 / R_merge(I) obs: 0.077 / Net I/σ(I): 22.8
Reflection shell	Resolution: 2.3→2.38 Å / Redundancy: 3.4 % / R_merge(I) obs: 0.94 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 11074 / CC_1/2: 0.696 / % possible all: 98.2

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Processing

Software

Name	Version	Classification
PHENIX	1.13_2998	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing
Blu-Ice		data collection

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB 6LH3 and 6LH5

6lh3
PDB Unreleased entry

6lh5
PDB Unreleased entry

Resolution: 2.3→29.15 Å / SU ML: 0.3196 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 27.093

	R_factor	Num. reflection	% reflection
R_free	0.2315	1968	1.79 %
R_work	0.1999	-	-
obs	0.2005	110219	97.85 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Displacement parameters

B_iso mean: 66.97 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→29.15 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15038	0	45	843	15926

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0022	15433
X-RAY DIFFRACTION	f_angle_d	0.5498	20942
X-RAY DIFFRACTION	f_chiral_restr	0.042	2290
X-RAY DIFFRACTION	f_plane_restr	0.0041	2680
X-RAY DIFFRACTION	f_dihedral_angle_d	15.1573	9213

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.3-2.36	0.3504	133	0.312	7436	X-RAY DIFFRACTION	94
2.36-2.42	0.2993	141	0.269	7753	X-RAY DIFFRACTION	98.7
2.42-2.49	0.3262	141	0.2907	7708	X-RAY DIFFRACTION	98.44
2.49-2.57	0.3661	128	0.3145	7085	X-RAY DIFFRACTION	90.08
2.57-2.66	0.2875	142	0.2491	7827	X-RAY DIFFRACTION	99.5
2.66-2.77	0.2618	143	0.241	7886	X-RAY DIFFRACTION	99.95
2.77-2.9	0.3008	141	0.2575	7758	X-RAY DIFFRACTION	98.38
2.9-3.05	0.3048	143	0.2314	7847	X-RAY DIFFRACTION	99.95
3.05-3.24	0.2896	142	0.2468	7743	X-RAY DIFFRACTION	97.9
3.24-3.49	0.2567	142	0.2053	7808	X-RAY DIFFRACTION	99.28
3.49-3.84	0.2179	144	0.1831	7878	X-RAY DIFFRACTION	99.39
3.84-4.4	0.1769	140	0.1566	7662	X-RAY DIFFRACTION	96.69
4.4-5.53	0.1744	143	0.1454	7916	X-RAY DIFFRACTION	99.33
5.53-29.15	0.1769	145	0.1653	7944	X-RAY DIFFRACTION	98.29

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	1.68334070052	-0.743523170888	-0.032629709057	1.71124788251	0.102567354618	1.12736723295	0.340895209565	0.553836100719	0.0831758265596	-0.589374483009	-0.0374225599749	-0.72510325956	0.065236315692	0.836627253559	-0.232212750196	0.962632457573	0.131705814644	0.00808569912842	0.913981846015	-0.105600927273	0.705137836187	70.8529520333	75.446632454	63.420283142
2	0.979015292217	-0.487814898097	-0.267145121594	1.38792975732	0.531080916403	1.72199808713	0.290837832216	0.131915212163	-0.249854095634	-0.318131526248	0.214744528935	-0.339542427552	0.721473258149	0.550525055426	-0.410288974149	0.738037086095	0.0606428830922	-0.177371273481	0.46155963038	-0.038924455242	0.519037389485	61.2690102129	74.271178686	77.938837839
3	2.5050534779	-0.079858865307	0.36528551799	2.0732548007	0.316760946318	1.58081423714	0.180473220478	0.116546246415	-0.027623468811	-0.231146148482	-0.0147034332579	-0.201653879639	1.0838411972	0.0146502151962	-0.0529913576197	1.44671226993	0.169408880252	-0.236863204523	0.696462282434	-0.11504038828	0.656024385903	64.573638092	55.1999315481	73.6694029413
4	0.721315792409	0.172935930464	0.30111306474	1.22200438927	-0.445630660637	0.621092276337	-0.0647642615385	0.362428286016	-0.0770154452074	-0.255242918777	0.312376873877	-0.402007159175	0.536785288903	0.861520519302	-0.142034485563	1.51201723708	0.234735351927	-0.440778473313	0.928826093526	-0.224742204318	0.890970410251	64.9699961965	55.9485106712	73.1810981676
5	1.80939896253	-0.322062775127	0.708678818545	0.202708678589	0.254282183859	2.49347017264	0.203860469251	-0.275374288946	0.104108771919	-0.401128941119	0.150808243832	0.224673909552	0.890051873343	-0.575401742445	-0.207365199332	0.697512118047	-0.21629782334	-0.117630490907	0.580933659984	0.156441005315	0.556955772547	46.7055911056	77.3809331449	89.258260335
6	2.18050047619	-0.601434445257	1.06651615863	2.0959489434	-0.182056903011	2.25365052491	0.166008353047	-0.270001286127	-0.129533166114	-0.502683269932	0.00985564172129	0.334241446832	0.363398016179	-0.63270670564	-0.128242856145	0.651989421284	-0.140035513074	-0.216479309403	0.531282002107	0.123281967876	0.515920915444	38.4796151898	83.3347974462	71.0053217613
7	1.88390448961	-0.103257084063	-0.629877290928	0.844376667141	0.224985953837	2.34319177658	1.14138059363	0.786511326267	-0.336764822881	-0.897232450436	-0.223523111626	0.601522807573	0.725094778125	-0.648731449647	1.47672874154	1.47238106057	-0.253006783996	-0.864438790597	0.623784698945	0.0612484335314	0.475287824176	34.9140153948	74.552742883	55.3031609124
8	1.14834310663	-0.893965066824	0.349280304368	1.7251545403	0.839528828542	1.89854321619	0.019223249219	0.113155520781	0.12215055257	-0.447525431795	0.131218160426	0.00133924985087	-0.102808360858	0.0279686119271	-0.120968611626	0.684615588839	-0.0794782500245	-0.124468289235	0.383356075195	0.110353184497	0.414473937495	49.8858834209	89.3552405877	70.155043668
9	4.11715883108	0.0499421001842	1.21450127458	2.97302095433	0.191362603736	3.24937273045	-0.87966650687	-0.82804704237	0.981772188481	-0.0436872994015	0.383483770011	-0.151591767235	-0.730567453898	-0.22143903934	0.320469845002	0.57468481721	0.110946823093	-0.198218724846	0.52646058955	-0.0799004182643	0.610636407729	59.2609406648	100.190498145	92.9215837628
10	1.06605445152	-0.0632581981261	0.255523672371	1.28366212151	0.395998247232	1.11554847902	-0.0367353353673	-0.128990774868	-0.0304977774618	0.0540719671305	-0.00972179731782	0.0482236484587	0.119044370682	-0.125392708355	0.0696947627353	0.205405313162	0.00798237381351	0.0423680986212	0.248327460682	0.0176462540936	0.261934708301	77.4502912544	88.0674658905	119.103855871
11	1.83960292353	-0.167489747877	-0.339627832541	1.19397419479	0.0155375635954	1.86645504161	-0.0321435092431	-0.228772170392	0.232441814071	0.0130289536383	0.015593054282	0.290594038542	-0.270291851582	-0.122353823716	0.0416279355646	0.222010274441	0.0321026271793	0.0119785840536	0.26187643504	-0.0303836472005	0.329739123304	75.6181488613	104.002554957	125.478726342
12	0.373665555449	0.0813253041098	0.615150314325	1.15566988138	0.720188234772	1.5115407149	-0.0593191542075	-0.0279202537094	0.030305921944	-0.0720250379629	-0.0946952727797	0.325330671167	0.0962170742801	-0.304003691047	0.111565585894	0.253162080768	-0.0198477943213	0.0294669137962	0.283001153566	-0.0231522882504	0.356790660899	72.2402561758	86.2616113738	115.739126878
13	2.40792195515	-0.00526888955836	0.458423728239	0.123545667613	0.22722106246	1.0296783406	-0.129967768592	0.144059981663	0.123165503099	-0.251489446177	0.00113837013942	-0.187249584396	0.0028508946582	0.0914003396891	0.1151273036	0.352052836457	-0.0400555432875	0.017338787676	0.274972935079	-0.0141247173233	0.318357682823	79.2290756899	79.0405816971	100.355160974
14	2.50101745376	0.387197095603	0.0841880619399	0.823595457705	-0.143912985836	1.79936693018	-0.121266483836	0.421905304941	-0.121693571239	-0.354024868311	0.132015819288	-0.26258237006	-0.0626678468991	0.330964505746	-0.0184345846994	0.392612296706	-0.0260298781806	0.0876399767452	0.408965145744	-0.0430881476988	0.318702790736	90.4100289378	77.6099165519	97.2083438556
15	1.59613014765	0.219775405993	-0.885964546006	1.42995626423	0.990901831333	1.75709564527	-0.353578845326	0.0653185131601	-0.0287208182249	0.0175020537573	0.272470197578	-0.0408855404469	0.270343757821	0.194089012037	0.11532889478	0.258148023142	0.00512095550013	0.0132190889488	0.331787856951	0.0305547367118	0.314990760513	91.175472016	82.9415496543	114.799298105
16	2.51273881958	-0.0920867548151	-0.925710838086	3.07010383549	1.24113391288	1.78037358727	-0.086894744469	0.0185880755064	-0.0195559507601	0.532705849229	0.0525805776836	0.173172699347	0.251910094435	-0.0435122268292	0.0578772940897	0.458408785578	-0.127908495099	0.0258371029813	0.527924076827	0.0354769005493	0.404730906174	27.4932351876	57.3189285593	121.430901514
17	1.34274796512	-0.39045049268	-0.731724426874	2.1374208738	0.683174511986	1.50781807257	0.170028725353	0.247256199419	0.22008826336	-0.0895991804044	-0.230087246897	-0.28501525239	-0.12693963491	-0.0847594426959	0.105526409654	0.341174974943	-0.0558270364652	0.0358510876866	0.508633785424	0.0898726735331	0.443379669929	37.219073217	57.4675460957	107.301515531
18	1.45265038161	0.195216913898	-0.822618014023	2.50987803936	0.00792711032012	2.55007093423	0.118300851913	0.137718727528	0.634142385566	0.0870867547352	-0.055858234092	-0.0728544881004	-0.435230680974	0.057713884029	-0.0760616699335	0.399357680839	-0.087480425961	0.0276634026939	0.479778113265	0.107357879515	0.718840297544	34.4409642889	77.6408006348	111.299519427
19	1.50234137215	0.228039461928	-0.0766682212914	1.32675084816	-1.21352415984	1.15603959972	0.346590704521	-0.0823851433774	0.801669273831	0.253386528791	-0.2454924446	-0.0283419754193	-0.438956586983	-0.0232694570868	0.00234721251908	0.49540996731	-0.0921956122138	0.0844817330673	0.481706807036	0.0494190340391	0.85241151563	34.2273426357	76.681349915	111.897716509
20	3.9668841537	-0.646554098479	-1.04313749309	1.38626248105	0.723753476653	1.37825180706	-0.114920905258	1.01121152991	-0.244185792013	-0.381305766114	0.0251753371979	-0.575878967314	0.263094905639	0.325549725507	-0.0360625535747	0.920972204345	-0.0231010693056	0.205720545879	1.10152399615	0.0742807108517	0.642984109987	43.3814007208	53.3621225855	91.0209935585
21	2.06797262687	-0.00199245580181	0.495174486189	2.56418480476	0.899105243254	1.96863646877	0.0987229724694	0.686336619138	-0.223086023095	-0.599828551663	-0.324808691056	0.441343095557	0.169598751461	-0.628925034545	0.144963522402	0.595900476229	-0.065792774264	-0.0662943312155	0.993962938964	-0.136306620367	0.492119653989	23.1775684801	45.5777038379	89.5012031947
22	2.13396714376	0.0197205744781	-0.104058994461	1.81814944287	0.160296425514	1.96031669149	-0.207898558803	0.738760446756	0.242418276761	-0.594854000424	-0.15253316714	0.783359716553	-0.232396714367	-1.16165327083	0.29672254251	0.643532270274	-0.0394381404841	-0.11971289631	1.517697984	-0.0930883072597	0.852759463006	6.48922916848	53.2530729088	90.978941464
23	2.30255556687	-1.24142011727	-0.4492311101	1.58203926742	0.396770307938	1.18522069216	0.218711135256	0.305615519343	-0.102951268571	-0.0136865617892	-0.418193895009	0.418859627484	0.20170341953	-0.525233801327	0.0693706723533	0.436873889801	-0.167097785453	-0.0179584359176	0.7268661262	-0.197941532225	0.647653271916	26.9372572632	41.1278823157	100.92343983
24	4.15580666416	0.0871008346246	0.351880331978	2.35233450171	0.295595795015	2.97106458682	0.281799456675	0.376080977198	-0.781825442509	0.294991581529	0.140664174351	-0.374142852432	0.875270466557	0.445686728946	-0.295289398022	0.664444983087	-0.00104044011865	-0.0984560503524	0.528720008047	-0.183879561003	0.718121399504	52.0700521718	31.8116866614	102.923761112
25	1.56457868655	-0.655297515646	-0.118415960988	1.74767821763	0.603088201395	0.936923459689	-0.0932838154967	0.135673264931	0.0993658614006	0.0352394791875	0.0666760314393	-0.0380949330903	0.0837761143294	0.108709322944	0.0264425172898	0.308510266023	-0.0399694531658	0.0647309569806	0.277417718125	-0.0190716963102	0.403545994941	80.694616427	44.0136626844	114.958183692
26	1.7471006171	0.249658152128	0.546491180681	1.80765142863	0.217698278467	2.35497405865	0.0029684958183	0.256027172602	-0.417380442114	-0.13764122277	0.0715901178046	-0.0801280407951	0.373219901708	0.188525962338	-0.111266731508	0.335094605239	0.0553479570143	0.0162185390924	0.282691052865	-0.0794527921699	0.415061449056	86.514855982	27.9046156798	112.111383219
27	1.53919510911	-1.15407320704	0.572386100684	1.2695389337	-0.0423710414794	0.665450696449	0.148554414777	0.227793185501	-0.0578639718274	-0.31458669725	-0.13779497269	0.0579610041992	0.0966108671467	0.00874395916541	-0.00509952860339	0.302911305179	-0.0123059405318	0.0354205438949	0.273176001612	-0.000439428119682	0.45992246088	76.3572659134	45.7571792354	110.476665269
28	1.94792080428	-0.318617341167	1.02260559246	0.455515733933	0.119934445224	2.25732893374	0.124387428094	-0.177082781219	-0.277094636041	0.204281872142	-0.0258315826437	0.129313477428	0.236786910685	-0.179200575084	-0.0805229536931	0.294429407422	-0.0220557795763	0.0553117976381	0.269467160622	0.00820321991372	0.435318823575	63.315202823	53.1960907553	120.173922578
29	2.70944335144	-0.0906938450698	0.875809324478	1.39590541182	0.100643816546	2.36691008888	-0.117799448344	-0.88009700344	-0.336050368837	0.39262445084	0.143860274404	0.155855237907	0.111848563168	-0.362036745449	-0.00358519304871	0.353654730749	0.0229907327321	0.122259998741	0.485307495186	0.072048899386	0.480809977822	61.8841618639	54.3329637619	131.804162653
30	2.16130217475	-1.09782405321	-0.338724922502	1.83170395387	0.507316292286	2.76691131875	0.0942343724134	-0.535250374384	-0.0690173067672	0.117432610791	0.254960998489	-0.167258706628	-0.0765199824572	-0.0244618933975	-0.298682478789	0.358148764135	-0.0540402395984	-0.0153841470989	0.432515368288	0.0442261239199	0.525532788975	79.2799130842	48.881771133	128.906828235

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 75 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 76 through 145 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 146 through 235 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 236 through 275 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 276 through 305 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 306 through 380 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 381 through 460 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 461 through 495 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 496 through 570 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 571 through 635 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 636 through 710 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 711 through 790 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 791 through 855 )
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 856 through 925 )
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 926 through 949 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 0 through 75 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 76 through 145 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 146 through 235 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 236 through 275 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 276 through 305 )
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 306 through 380 )
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 381 through 460 )
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 461 through 495 )
24	X-RAY DIFFRACTION	24	chain 'B' and (resid 496 through 570 )
25	X-RAY DIFFRACTION	25	chain 'B' and (resid 571 through 635 )
26	X-RAY DIFFRACTION	26	chain 'B' and (resid 636 through 710 )
27	X-RAY DIFFRACTION	27	chain 'B' and (resid 711 through 790 )
28	X-RAY DIFFRACTION	28	chain 'B' and (resid 791 through 855 )
29	X-RAY DIFFRACTION	29	chain 'B' and (resid 856 through 925 )
30	X-RAY DIFFRACTION	30	chain 'B' and (resid 926 through 949 )

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